CID 12436923

1865-09-4

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂

SMILES

CCOC(=O)C1=NC2=CC=CC=C2N1

InChI

InChI=1S/C10H10N2O2/c1-2-14-10(13)9-11-7-5-3-4-6-8(7)12-9/h3-6H,2H2,1H3,(H,11,12)

InChIKey

NMYSVCYIPOCLEC-UHFFFAOYSA-N

Compound name

ethyl 1H-benzimidazole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 99
Patents: 190.07423 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	191.08151	138.7
[M+Na]+	213.06345	148.6
[M-H]-	189.06695	139.9
[M+NH4]+	208.10805	158.0
[M+K]+	229.03739	145.5
[M+H-H2O]+	173.07149	131.8
[M+HCOO]-	235.07243	160.6
[M+CH3COO]-	249.08808	178.7
[M+Na-2H]-	211.04890	145.6
[M]+	190.07368	141.0
[M]-	190.07478	141.0

Literature stripe

literature stripe

Patent stripe

patents stripe